S-[5-oxidanylidene-1-[(4-phenoxyphenyl)methyl]-2-(phenylmethyl)pyrrolidin-3-yl] ethanethioate

Systemtic Name: S-[5-oxidanylidene-1-[(4-phenoxyphenyl)methyl]-2-(phenylmethyl)pyrrolidin-3-yl] ethanethioate Openeye Name: S-[2-benzyl-5-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl] ethanethioate CAS Name: ethanethioic acid S-[5-oxo-1-[(4-phenoxyphenyl)methyl]-2-(phenylmethyl)-3-pyrrolidinyl] ester IUPAC Name: S-[2-benzyl-5-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl] ethanethioate Traditional Name: ethanethioic acid S-[2-benzyl-5-keto-1-(4-phenoxybenzyl)pyrrolidin-3-yl] ester Formula: C26H25NO3S MolecularWeight: 431.5466

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(=O)N(C1CC2=CC=CC=C2)CC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CC(=O)SC1CC(=O)N(C1CC2=CC=CC=C2)CC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C26H25NO3S/c1-19(28)31-25-17-26(29)27(24(25)16-20-8-4-2-5-9-20)18-21-12-14-23(15-13-21)30-22-10-6-3-7-11-22/h2-15,24-25H,16-18H2,1H3